N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine

C17H20BrN3 — CID 62284947

IUPACN-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccccc1)c1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C17H20BrN3/c1-21(12-13-5-3-2-4-6-13)17-14(9-15(18)11-20-17)10-19-16-7-8-16/h2-6,9,11,16,19H,7-8,10,12H2,1H3
InChIKeyKERJGUVTGXYQNY-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.73
Rot. Bonds6

About N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine

N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine (PubChem CID 62284947) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
PubChem CID62284947
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC NameN-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccccc1)c1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C17H20BrN3/c1-21(12-13-5-3-2-4-6-13)17-14(9-15(18)11-20-17)10-19-16-7-8-16/h2-6,9,11,16,19H,7-8,10,12H2,1H3
InChIKeyKERJGUVTGXYQNY-UHFFFAOYSA-N
XLogP3.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 62288842
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62283013
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62280389
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62288203
N'-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997407
2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191503
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine
CID 64519885
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
[5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 62000732
5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine
CID 65486119

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine (CID 62284947) is N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine is CN(Cc1ccccc1)c1ncc(Br)cc1CNC1CC1.
What is the InChIKey of N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
The InChIKey is KERJGUVTGXYQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-21(12-13-5-3-2-4-6-13)17-14(9-15(18)11-20-17)10-19-16-7-8-16/h2-6,9,11,16,19H,7-8,10,12H2,1H3.
What are the key properties of N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine?
N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine has a molecular weight of 346.27 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62284947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).